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Search term: JDHVIQVHEOLHHB-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 3-(4-{4-Butyl-2-[4-(4-chlorophenoxy)phenyl]-1,3-thiazol-5-yl}phenoxy)-N,N-diethyl-1-propanamine | C32H37ClN2O2S

3-(4-{4-Butyl-2-[4-(4-chlorophenoxy)phenyl]-1,3-thiazol-5-yl}phenoxy)-N,N-diethyl-1-propanamine

  • Molecular FormulaC32H37ClN2O2S
  • Average mass549.166 Da
  • Monoisotopic mass548.226440 Da
  • ChemSpider ID28650787

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-Propanamine, 3-[4-[4-butyl-2-[4-(4-chlorophenoxy)phenyl]-5-thiazolyl]phenoxy]-N,N-diethyl- [ACD/Index Name]
3-(4-{4-Butyl-2-[4-(4-chlorophenoxy)phenyl]-1,3-thiazol-5-yl}phenoxy)-N,N-diethyl-1-propanamine [ACD/IUPAC Name]
3-(4-{4-Butyl-2-[4-(4-chlorophénoxy)phényl]-1,3-thiazol-5-yl}phénoxy)-N,N-diéthyl-1-propanamine [French] [ACD/IUPAC Name]
3-(4-{4-Butyl-2-[4-(4-chlorphenoxy)phenyl]-1,3-thiazol-5-yl}phenoxy)-N,N-diethyl-1-propanamin [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 667.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.1±3.0 kJ/mol
Flash Point: 357.5±34.3 °C
Index of Refraction: 1.580
Molar Refractivity: 160.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 10.69
ACD/LogD (pH 5.5): 5.20
ACD/BCF (pH 5.5): 957.02
ACD/KOC (pH 5.5): 626.94
ACD/LogD (pH 7.4): 5.69
ACD/BCF (pH 7.4): 2951.24
ACD/KOC (pH 7.4): 1933.35
Polar Surface Area: 63 Å2
Polarizability: 63.5±0.5 10-24cm3
Surface Tension: 43.4±3.0 dyne/cm
Molar Volume: 481.4±3.0 cm3

Click to predict properties on the Chemicalize site


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